bromide
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Basic Info
| Common Name | Bromide(F01038) |
| 2D Structure | |
| FRCD ID | F01038 |
| CAS Number | 24959-67-9 |
| PubChem CID | 259 |
| Formula | Br- |
| IUPAC Name | bromide |
| InChI Key | CPELXLSAUQHCOX-UHFFFAOYSA-M |
| InChI | InChI=1S/BrH/h1H/p-1 |
| Canonical SMILES | [Br-] |
| Isomeric SMILES | [Br-] |
| Synonyms |
bromide
bromide ion
24959-67-9
Bromine ion
UNII-952902IX06
CHEMBL11685
Br-
CHEBI:15858
952902IX06
Bromide ions
|
| Classifies |
Predicted: Pollutant
|
| Update Date | Nov 13, 2018 16:49 |
Chemical Taxonomy
| Kingdom | Inorganic compounds |
| Superclass | Homogeneous non-metal compounds |
| Class | Homogeneous halogens |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Homogeneous halogens |
| Alternative Parents | |
| Molecular Framework | Not available |
| Substituents | Homogeneous halogen |
| Description | This compound belongs to the class of inorganic compounds known as homogeneous halogens. These are inorganic non-metallic compounds in which the largest atom is a nobel gas. |
Properties
| Property Name | Property Value |
|---|---|
| Molecular Weight | 79.904 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Complexity | 0 |
| Monoisotopic Mass | 78.918 |
| Exact Mass | 78.918 |
| XLogP | 1 |
| Formal Charge | -1 |
| Heavy Atom Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Isotope Atom Count | 0 |
| Covalently-Bonded Unit Count | 1 |
ADMET
| Model | Result | Probability |
|---|---|---|
| Absorption | ||
| Blood-Brain Barrier | BBB+ | 0.9749 |
| Human Intestinal Absorption | HIA+ | 0.9232 |
| Caco-2 Permeability | Caco2+ | 0.6956 |
| P-glycoprotein Substrate | Non-substrate | 0.8990 |
| P-glycoprotein Inhibitor | Non-inhibitor | 0.9861 |
| Non-inhibitor | 0.9786 | |
| Renal Organic Cation Transporter | Non-inhibitor | 0.9171 |
| Distribution | ||
| Subcellular localization | Lysosome | 0.6169 |
| Metabolism | ||
| CYP450 2C9 Substrate | Non-substrate | 0.8422 |
| CYP450 2D6 Substrate | Non-substrate | 0.6864 |
| CYP450 3A4 Substrate | Non-substrate | 0.7897 |
| CYP450 1A2 Inhibitor | Non-inhibitor | 0.7769 |
| CYP450 2C9 Inhibitor | Non-inhibitor | 0.8414 |
| CYP450 2D6 Inhibitor | Non-inhibitor | 0.9441 |
| CYP450 2C19 Inhibitor | Non-inhibitor | 0.8844 |
| CYP450 3A4 Inhibitor | Non-inhibitor | 0.9558 |
| CYP Inhibitory Promiscuity | Low CYP Inhibitory Promiscuity | 0.9021 |
| Excretion | ||
| Toxicity | ||
| Human Ether-a-go-go-Related Gene Inhibition | Weak inhibitor | 0.9628 |
| Non-inhibitor | 0.9637 | |
| AMES Toxicity | AMES toxic | 0.6885 |
| Carcinogens | Carcinogens | 0.7028 |
| Fish Toxicity | High FHMT | 0.5000 |
| Tetrahymena Pyriformis Toxicity | High TPT | 0.9423 |
| Honey Bee Toxicity | High HBT | 0.8221 |
| Biodegradation | Ready biodegradable | 0.5920 |
| Acute Oral Toxicity | III | 0.4813 |
| Carcinogenicity (Three-class) | Warning | 0.5032 |
| Model | Value | Unit |
|---|---|---|
| Absorption | ||
| Aqueous solubility | -1.2582 | LogS |
| Caco-2 Permeability | 1.5473 | LogPapp, cm/s |
| Distribution | ||
| Metabolism | ||
| Excretion | ||
| Toxicity | ||
| Rat Acute Toxicity | 2.4967 | LD50, mol/kg |
| Fish Toxicity | 0.5529 | pLC50, mg/L |
| Tetrahymena Pyriformis Toxicity | 1.1350 | pIGC50, ug/L |
MRLs
| Food | Product Code | Country | MRLs | Application Date | Notes |
|---|---|---|---|---|---|
| Buckwheat and other pseudocereals (Amaranth/kiwicha, Amaranth/kiwicha, Amaranth/kiwicha, Kaniwa/canihua, Quinoa, Chia seeds,) | 0500020 | European Union | 50 | 01/09/2008 | |
| Rose (Almond, Bee balm, Bitter orange/sour orange, Black locust, Cat’s foot, Chrysanthemum, Cinnamon, Clary sage, Cornflower, Cowslip/primrose, Daisy, Dyer’s broom, Elder, Field poppy, Great mullei... | 0631030 | European Union | 50 | 01/09/2008 | |
| Strawberry (Absinth/common wormwood, Agrimony, Alfalfa/lucerne, Aloe (leaf gel), Alpine ladies mantle, Bearberry, Bilberry/European blueberry/whortleberry, Birch, Bitter orange/sour orange, Blackbe... | 0632010 | European Union | 100 | 01/09/2008 | |
| Fennel (Bitter fennel, Sweet fennel,) | 0810070 | European Union | 400 | 01/09/2008 | |
| Nutmeg (Annatto, Candlenut, Wattleseeds, Calabash nutmeg,) | 0810090 | European Union | 400 | 01/09/2008 | |
| Edible offals (other than liver and kidney) | 1015050 | European Union | 0.05* | 01/09/2008 | |
| (f) poultry (Bobwhite quail, Chicken (including silkie chicken), Collared Dove, Duck, Geese, Green peafowl, Guinea fowl, Japanese quail, Muskovy duck, Mute swan, Partridge, Peafowl, Pheasant, Pigeo... | 1016000 | European Union | 0.05* | 01/09/2008 | |
| Citrus fruits | 0110000 | European Union | 30 | 01/09/2008 | |
| Grapefruits (Natsudaidais, Shaddocks/pomelos, Sweeties/oroblancos, Tangelolos, Tangelos (except minneolas)/Ugli®, Other hybrids of Citrus paradisi, not elsewhere mentioned,) | 0110010 | European Union | 30 | 01/09/2008 | |
| Oranges (Bergamots, Bitter oranges/sour oranges, Blood oranges, Cara caras, Chinottos, Trifoliate oranges, Other hybrids of Citrus sinensis, not elsewhere mentioned,) | 0110020 | European Union | 30 | 01/09/2008 | |
| Lemons (Buddha's hands/Buddha's fingers, Citrons,) | 0110030 | European Union | 30 | 01/09/2008 | |
| Limes (Indian sweet limes/Palestine sweet limes, Kaffir limes, Sweet limes/mosambis, Tahiti limes, Limequats,) | 0110040 | European Union | 30 | 01/09/2008 | |
| Mandarins (Calamondins, Clementines, Cleopatra mandarins, Minneolas, Satsumas/clausellinas, Tangerines/dancy mandarins, Tangors, Other hybrids of Citrus reticulata, not elsewhere mentioned,) | 0110050 | European Union | 30 | 01/09/2008 | |
| Others (2) | 0110990 | European Union | 30 | 01/09/2008 | |
| Tree nuts | 0120000 | European Union | 50 | 01/09/2008 | |
| Almonds (Apricot kernels, Bitter almonds, Canarium nuts/galip nuts, Pili nuts, Okari nuts,) | 0120010 | European Union | 50 | 01/09/2008 | |
| Brazil nuts | 0120020 | European Union | 50 | 01/09/2008 | |
| Cashew nuts | 0120030 | European Union | 50 | 01/09/2008 | |
| Chestnuts | 0120040 | European Union | 50 | 01/09/2008 | |
| Coconuts (Areca nuts/betel nuts,) | 0120050 | European Union | 50 | 01/09/2008 |
References
| Title | Journal | Date | Pubmed ID |
|---|---|---|---|
| Imidacloprid soil movement under micro-sprinkler irrigation and soil-drenchapplications to control Asian citrus psyllid (ACP) and citrus leafminer (CLM). | PLoS One | 2018 Mar 8 | 29518086 |
| High removal performance of a magnetic FPA90-Cl anion resin for bromate andcoexisting precursors: kinetics, thermodynamics, and equilibrium studies. | Environ Sci Pollut Res Int | 2018 Jun | 29687199 |
| Halogenated Organic Compounds Identified in Hydraulic Fracturing WastewatersUsing Ultrahigh Resolution Mass Spectrometry. | Environ Sci Technol | 2017 May 16 | 28403606 |
| Applicability of geochemical techniques and artificial sweeteners indiscriminating the anthropogenic sources of chloride in shallow groundwater northof Toronto, Canada. | Environ Monit Assess | 2017 May | 28412769 |
| Intermicellar Interactions and the Viscoelasticity of Surfactant Solutions:Complementary Use of SANS and SAXS. | Langmuir | 2017 Mar 14 | 28221812 |
| Chemical characterization of surface snow in Istanbul (NW Turkey) and theirassociation with atmospheric circulations. | Environ Monit Assess | 2017 Jun | 28523580 |
| Highly Sensitive Electrochemical Sensor for the Detection of Anions in WaterBased on a Redox-Active Monolayer Incorporating an Anion Receptor. | Anal Chem | 2017 Dec 5 | 29111674 |
| Cytotoxicity of 11-epi-Sinulariolide Acetate Isolated from Cultured Soft Coralson HA22T Cells through the Endoplasmic Reticulum Stress Pathway and MitochondrialDysfunction. | Int J Mol Sci | 2016 Oct 27 | 27801783 |
| Antibacterial and cytotoxic cytochalasins from the endophytic fungus Phomopsis sp. harbored in Garcinia kola (Heckel) nut. | BMC Complement Altern Med | 2016 Nov 14 | 27842536 |
| A coacervative extraction based on single-chain and double-chain cationicsurfactants. | J Chromatogr A | 2016 Nov 11 | 27776773 |
| Viscoelasticity Enhancement of Surfactant Solutions Depends on MolecularConformation: Influence of Surfactant Headgroup Structure and Its Counterion. | Langmuir | 2016 May 3 | 27081871 |
| Evaluation of metal concentration and antioxidant, antimicrobial, and anticancer potentials of two edible mushrooms Lactarius deliciosus and Macrolepiota procera. | J Food Drug Anal | 2016 Jul | 28911552 |
| Leaching of the Neonicotinoids Thiamethoxam and Imidacloprid from Sugar Beet SeedDressings to Subsurface Tile Drains. | J Agric Food Chem | 2016 Aug 24 | 27529118 |
| Antibiotic resistance and multidrug-resistant efflux pumps expression in lacticacid bacteria isolated from pozol, a nonalcoholic Mayan maize fermented beverage. | Food Sci Nutr | 2015 Nov 9 | 27247772 |
| Effect of halide salts on development of surface browning on fresh-cut 'GrannySmith' (Malus × domestica Borkh) apple slices during storage at low temperature. | J Sci Food Agric | 2015 Mar 30 | 24898689 |
| In Vitro Toxic Effects of Zinc Oxide Nanoparticles on Rat Adipose Tissue-Derived Mesenchymal Stem Cells. | Cell J | 2015 Fall | 26464812 |
| Ethyl Formate: A Potential Disinfestation Treatment for Eucalyptus Weevil(Gonipterus platensis) (Coleoptera: Curculionidae) in Apples. | J Econ Entomol | 2015 Dec | 26470387 |
| Identification of halogenated photoproducts generated afterultraviolet-irradiation of parabens and benzoates in water containing chlorine bysolid-phase microextraction and gas chromatography-mass spectrometry. | J Chromatogr A | 2014 Jul 4 | 24856965 |
| Biopesticides: state of the art and future opportunities. | J Agric Food Chem | 2014 Dec 3 | 25406111 |
| Development of a novel electrochemical sensor using pheochromocytoma cells and its assessment of acrylamide cytotoxicity. | Biosens Bioelectron | 2013 Jun 15 | 23416312 |